4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile

C18H22N4O — CID 175993662

IUPAC4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
SMILESCc1ccc2c(n1)c(N(C)C1CCCCC1)c(C#N)c(=O)n2C
InChIInChI=1S/C18H22N4O/c1-12-9-10-15-16(20-12)17(14(11-19)18(23)22(15)3)21(2)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3
InChIKeySDKLBPYQBDOKDG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.88
Rot. Bonds2

About 4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile

4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile (PubChem CID 175993662) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
PubChem CID175993662
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
SMILESCc1ccc2c(n1)c(N(C)C1CCCCC1)c(C#N)c(=O)n2C
InChIInChI=1S/C18H22N4O/c1-12-9-10-15-16(20-12)17(14(11-19)18(23)22(15)3)21(2)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3
InChIKeySDKLBPYQBDOKDG-UHFFFAOYSA-N
XLogP2.88
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 170792046
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;N-(cyclohexylmethyl)-4-fluoroaniline
CID 164539528
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine
CID 168962815
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;5-methyl-1,3-benzodioxole;methylidyne-[(2-methylpropan-2-yl)oxy]azanium
CID 168962791
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
CID 168962652
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine
CID 168962726
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine
CID 168962638
8-[[4-[N-(cyclobutylmethyl)-4-fluoro-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539765
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;N-(1,4-dioxan-2-ylmethyl)-4-fluoroaniline
CID 164539744
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine
CID 168962704
(E)-1-(1,3-benzodioxol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine;8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 168962530
8-[[4-[cyclobutylmethyl-(6-fluoro-4-methyl-3-pyridinyl)amino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539874

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile (CID 175993662) is 4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile is Cc1ccc2c(n1)c(N(C)C1CCCCC1)c(C#N)c(=O)n2C.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile?
The InChIKey is SDKLBPYQBDOKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-9-10-15-16(20-12)17(14(11-19)18(23)22(15)3)21(2)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile?
4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile has a molecular weight of 310.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 175993662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).